3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

C35H54O6P2 — CID 14121745

IUPAC3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCCCCCCc1ccccc1OP1OCC2(CO1)COP(Oc1ccccc1CCCCCCCCC)OC2
InChIInChI=1S/C35H54O6P2/c1-3-5-7-9-11-13-15-21-31-23-17-19-25-33(31)40-42-36-27-35(28-37-42)29-38-43(39-30-35)41-34-26-20-18-24-32(34)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-30H2,1-2H3
InChIKeyIRWRMZYXCKXFMV-UHFFFAOYSA-N
MW632.76 g/mol
LogP11.26
Rot. Bonds20

About 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (PubChem CID 14121745) has the molecular formula C35H54O6P2 and a molecular weight of 632.76 g/mol. Its IUPAC name is 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.

Molecular Properties

Compound Name3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
PubChem CID14121745
Molecular FormulaC35H54O6P2
Molecular Weight632.76 g/mol
Exact Mass632.34
IUPAC Name3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
SMILESCCCCCCCCCc1ccccc1OP1OCC2(CO1)COP(Oc1ccccc1CCCCCCCCC)OC2
InChIInChI=1S/C35H54O6P2/c1-3-5-7-9-11-13-15-21-31-23-17-19-25-33(31)40-42-36-27-35(28-37-42)29-38-43(39-30-35)41-34-26-20-18-24-32(34)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-30H2,1-2H3
InChIKeyIRWRMZYXCKXFMV-UHFFFAOYSA-N
XLogP11.26
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane with MolForge

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Related Compounds

2-methyl-2-[(2-undecylphenoxy)methyl]oxirane
CID 101312376
3,9-bis[2,4-bis(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 59029587
1-methoxy-2-tetradecylbenzene
CID 69169530
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
1-heptyl-2-octadecoxybenzene
CID 139667653
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069
(2-octylphenoxy)phosphane
CID 163637323
methanol;2-(2-nonylphenoxy)oxirane
CID 88727067
bis(2-heptylphenoxy)-oxophosphanium
CID 67547251
3,9-bis[2,6-bis(2,2-dimethylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 130297263

Frequently Asked Questions

What is the IUPAC name of 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The IUPAC name of 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane (CID 14121745) is 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane.
What is the SMILES notation for 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The canonical SMILES for 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is CCCCCCCCCc1ccccc1OP1OCC2(CO1)COP(Oc1ccccc1CCCCCCCCC)OC2.
What is the InChIKey of 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
The InChIKey is IRWRMZYXCKXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H54O6P2/c1-3-5-7-9-11-13-15-21-31-23-17-19-25-33(31)40-42-36-27-35(28-37-42)29-38-43(39-30-35)41-34-26-20-18-24-32(34)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-30H2,1-2H3.
What are the key properties of 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane?
3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane has a molecular weight of 632.76 g/mol, XLogP of 11.26, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis(2-nonylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane is sourced from PubChem (CID 14121745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).